N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C20H33ClN2O3 — CID 119722905

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-3-24-10-11-25-15-17-6-4-8-19(13-17)22-20(23)12-16(2)18-7-5-9-21-14-18;/h4,6,8,13,16,18,21H,3,5,7,9-12,14-15H2,1-2H3,(H,22,23);1H
InChIKeyUVRTVMSNGDIVHU-UHFFFAOYSA-N
MW384.95 g/mol
LogP3.63
Rot. Bonds10

About N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119722905) has the molecular formula C20H33ClN2O3 and a molecular weight of 384.95 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119722905
Molecular FormulaC20H33ClN2O3
Molecular Weight384.95 g/mol
Exact Mass384.22
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl
InChIInChI=1S/C20H32N2O3.ClH/c1-3-24-10-11-25-15-17-6-4-8-19(13-17)22-20(23)12-16(2)18-7-5-9-21-14-18;/h4,6,8,13,16,18,21H,3,5,7,9-12,14-15H2,1-2H3,(H,22,23);1H
InChIKeyUVRTVMSNGDIVHU-UHFFFAOYSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 119710473
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
3-piperidin-3-yl-N-(3-pyridin-4-yloxyphenyl)butanamide;dihydrochloride
CID 119886951
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
N-[3-[3-(dimethylamino)propoxy]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119885836

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119722905) is N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CCOCCOCc1cccc(NC(=O)CC(C)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is UVRTVMSNGDIVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3.ClH/c1-3-24-10-11-25-15-17-6-4-8-19(13-17)22-20(23)12-16(2)18-7-5-9-21-14-18;/h4,6,8,13,16,18,21H,3,5,7,9-12,14-15H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119722905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).